| CAS Number | 59695-29-3 |
| Catalog Number | AG00F9Q2(AGN-PC-0ST8QA) |
| Chemical Name | 3-(4-Methyl-piperazin-1-yl)-propionic aciddihydrochloride |
| IUPAC Name | 3-(4-methylpiperazin-1-yl)propanoic acid;dihydrochloride |
| InChI | InChI=1S/C8H16N2O2.2ClH/c1-9-4-6-10(7-5-9)3-2-8(11)12;;/h2-7H2,1H3,(H,11,12);2*1H |
| InChI Key | XCRQAPJDBCYMKE-UHFFFAOYSA-N |
| MDL Number | MFCD08436216 |
| Molecular Formula | C8H18Cl2N2O2 |
| Molecular Weight | 245.1467 |
| SMILES | CN1CCN(CC1)CCC(=O)O.Cl.Cl |
| Synonyms | 3-(4-methylpiperazin-1-yl)propanoic acid dihydrochloride,
59695-29-3,
3-(4-Methylpiperazin-1-yl)propanoic acid 2HCl,
3-(4-Methyl-piperazin-1-yl)-propionic aciddihydrochloride,
AC1Q3AJ3,
CTK6I3231,
3-(4-METHYL-PIPERAZIN-1-YL)-PROPIONIC ACID DIHYDROCHLORIDE,
6410AE,
MFCD08436216,
SBB076293,
AKOS005136211,
AB0090556,
TR-049786,
CS-0046935,
EN300-41520,
VU0494591-1,
L-3512,
3-(4-methylpiperazin-1-yl)propanoic acid;dihydrochloride,
F1929-1458,
3-(4-Methyl-piperazin-1-yl)-propionic acid di hydrochloride,
C8H18Cl2N2O2,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.144g/mol |
| Monoisotopic Mass | 244.075g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number